chempirical

Methyl phenyl sulfone

C7H8O2SCAS 3112-85-4156.20 g/mol

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Sulfone

Properties

Molecular formula
C7H8O2S
Molar mass
156.20 g/mol
Exact mass
156.0245 Da
Melting point
86 °C
Boiling point
63 °C (at 0.03 Torr)
logP
1.09Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
3112-85-4
SMILES
CS(=O)(=O)c1ccccc1
InChIKey
JCDWETOKTFWTHA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3

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Names and synonyms

6 names
  • Benzene, (methylsulfonyl)-
  • Sulfone, methyl phenyl
  • (Methylsulfonyl)benzene
  • Phenyl methyl sulfone
  • (Phenylsulfonyl)methane
  • NSC 41587

Work with Methyl phenyl sulfone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl p-tolyl sulfone3185-99-758 % similar p-Tolyl methyl sulfone59203-01-958 % similar 4-(Methylsulfonyl)phenol14763-60-156 % similar 1-Bromo-4-(methylsulphonyl)benzene3466-32-856 % similar 4-Fluorophenyl methyl sulfone455-15-256 % similar 4-(Methylsulfonyl)aniline5470-49-556 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-756 % similar 4-(Methylsulfonyl)benzonitrile22821-76-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Furfurylthiol acetate13678-68-7 Methyl (2-thienyl)acetate19432-68-9 5-Ethyl-thiophene-2-carboxylic acid23229-72-3 Ethyl 2-thiophenecarboxylate2810-04-0 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-0 3-(Acetylthio)-2-methylfuran55764-25-5 Ethyl 3-thiophenecarboxylate5751-80-4 Methyl 3-thiopheneacetate58414-52-1

Elsewhere

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